==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATE TRANSPORT 20-JUL-94 1PBP . COMPND 2 MOLECULE: PHOSPHATE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Z.WANG,A.CHOUDHARY,P.S.LEDVINA,F.A.QUIOCHO . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 4 1 1 2 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A E 0 0 155 0, 0.0 2,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 134.7 20.6 3.1 32.3 2 2 A A - 0 0 14 270,-0.1 28,-2.8 267,-0.0 2,-0.5 -0.659 360.0-138.2-110.6 162.5 21.9 3.6 28.7 3 3 A S E -a 30 0A 73 -2,-0.2 2,-0.3 26,-0.2 28,-0.2 -0.986 26.8-174.4-119.4 122.5 25.0 4.8 27.1 4 4 A L E -a 31 0A 1 26,-3.9 28,-3.2 -2,-0.5 2,-0.4 -0.850 10.3-159.8-117.4 151.6 24.5 7.1 24.1 5 5 A T E +a 32 0A 42 -2,-0.3 46,-2.2 26,-0.2 47,-1.2 -0.999 12.7 170.8-133.8 132.9 27.0 8.6 21.6 6 6 A G E -ab 33 52A 0 26,-2.6 28,-2.6 -2,-0.4 2,-0.3 -0.912 7.6-171.5-130.7 164.8 26.5 11.5 19.3 7 7 A A E +ab 34 53A 0 45,-1.4 47,-1.9 -2,-0.3 2,-0.4 -0.994 33.9 56.4-158.1 146.8 28.9 13.4 17.1 8 8 A G E +ab 35 54A 0 26,-2.6 29,-2.3 -2,-0.3 28,-1.3 -0.992 63.1 56.6 147.1-138.4 28.9 16.5 15.1 9 9 A A - 0 0 0 45,-1.9 46,-0.1 -2,-0.4 4,-0.1 -0.023 39.9-162.8 -42.6 131.6 28.2 20.2 15.2 10 10 A T S > S+ 0 0 4 1,-0.1 3,-0.9 2,-0.1 -1,-0.1 0.618 77.9 87.6 -90.8 -19.0 30.3 22.2 17.8 11 11 A F T 3 S+ 0 0 0 1,-0.2 186,-0.2 2,-0.1 -1,-0.1 0.906 103.3 24.7 -45.5 -48.4 27.7 25.1 17.4 12 12 A P T 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.396 90.9 109.4-105.6 12.0 25.5 23.6 20.1 13 13 A A H <> S+ 0 0 17 -3,-0.9 4,-2.9 1,-0.2 5,-0.3 0.820 71.9 58.0 -52.4 -42.8 28.1 21.6 22.0 14 14 A P H > S+ 0 0 34 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.952 114.5 39.6 -57.1 -41.8 28.1 23.8 25.2 15 15 A V H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.903 114.8 50.3 -76.0 -38.2 24.4 23.2 25.6 16 16 A Y H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.893 112.7 49.7 -64.0 -39.7 24.4 19.5 24.6 17 17 A A H X S+ 0 0 59 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.885 112.1 48.2 -62.4 -38.2 27.3 19.0 27.1 18 18 A K H X S+ 0 0 84 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.924 113.0 45.5 -71.8 -42.6 25.3 20.8 29.8 19 19 A W H X S+ 0 0 7 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.905 112.5 52.5 -68.4 -38.1 22.1 18.8 29.1 20 20 A A H X S+ 0 0 12 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.894 109.3 49.6 -63.7 -43.7 24.1 15.5 29.1 21 21 A D H X S+ 0 0 67 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.942 115.5 41.8 -59.4 -52.3 25.7 16.4 32.4 22 22 A T H X S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.887 111.8 56.6 -62.9 -39.3 22.3 17.2 34.1 23 23 A Y H X>S+ 0 0 10 -4,-2.9 4,-2.5 2,-0.2 5,-0.5 0.879 107.8 46.8 -60.6 -47.5 20.7 14.2 32.4 24 24 A Q H X5S+ 0 0 87 -4,-2.1 4,-2.0 4,-0.2 -1,-0.2 0.924 110.5 53.5 -62.8 -43.8 23.2 11.8 33.9 25 25 A K H <5S+ 0 0 145 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.906 117.9 36.9 -55.9 -40.2 22.8 13.4 37.3 26 26 A E H <5S+ 0 0 142 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.809 137.8 10.5 -85.7 -29.6 19.0 12.9 37.2 27 27 A T H <5S- 0 0 65 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.477 89.3-119.7-126.0 -11.8 18.7 9.5 35.4 28 28 A G << + 0 0 27 -4,-2.0 -4,-0.2 -5,-0.5 -3,-0.1 0.242 65.6 139.3 87.9 -17.7 22.1 7.9 35.3 29 29 A N - 0 0 16 -6,-0.5 2,-0.5 -28,-0.1 -1,-0.3 -0.303 44.6-141.8 -62.7 140.3 22.0 7.8 31.4 30 30 A K E -a 3 0A 90 -28,-2.8 -26,-3.9 -3,-0.1 2,-0.6 -0.951 16.3-173.4-112.1 124.2 25.3 8.7 29.8 31 31 A V E -a 4 0A 18 -2,-0.5 2,-0.6 -11,-0.2 -26,-0.2 -0.971 6.5-163.8-117.1 115.9 25.4 10.8 26.6 32 32 A N E -a 5 0A 86 -28,-3.2 -26,-2.6 -2,-0.6 2,-0.6 -0.874 9.9-168.6 -98.3 114.1 28.9 11.1 25.1 33 33 A Y E -a 6 0A 37 -2,-0.6 2,-0.7 -28,-0.2 -26,-0.2 -0.921 8.4-160.8-113.2 126.7 29.0 14.0 22.5 34 34 A Q E -a 7 0A 73 -28,-2.6 -26,-2.6 -2,-0.6 2,-1.3 -0.852 9.3-150.4-103.5 110.8 31.9 14.5 20.2 35 35 A G E +a 8 0A 42 -2,-0.7 -26,-0.2 -28,-0.2 -25,-0.1 -0.611 42.8 140.5 -80.2 98.1 32.2 17.9 18.7 36 36 A I - 0 0 71 -28,-1.3 4,-0.4 -2,-1.3 -27,-0.2 0.254 67.7 -87.8-119.1 8.6 33.9 17.2 15.3 37 37 A G > - 0 0 0 -29,-2.3 4,-2.2 1,-0.1 -1,-0.3 0.061 41.2 -84.8 96.3 148.8 31.9 19.6 13.1 38 38 A S H > S+ 0 0 1 -30,-0.3 4,-2.1 2,-0.2 5,-0.2 0.871 124.5 56.4 -57.1 -43.7 28.7 19.1 11.2 39 39 A S H > S+ 0 0 39 99,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.948 110.9 44.8 -57.1 -45.3 30.3 17.5 8.1 40 40 A G H > S+ 0 0 20 98,-0.5 4,-2.5 -4,-0.4 -1,-0.2 0.860 108.9 57.8 -64.6 -36.5 31.8 14.8 10.4 41 41 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 13,-0.3 -1,-0.2 0.907 108.6 45.1 -61.0 -40.1 28.5 14.4 12.2 42 42 A V H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.927 113.1 50.4 -69.8 -43.4 26.7 13.6 9.0 43 43 A K H X S+ 0 0 158 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.908 112.0 49.0 -58.4 -46.1 29.4 11.2 7.9 44 44 A Q H <>S+ 0 0 54 -4,-2.5 5,-1.9 2,-0.2 6,-0.6 0.875 110.5 46.8 -64.8 -45.2 29.3 9.4 11.2 45 45 A I H ><5S+ 0 0 0 -4,-2.1 3,-0.9 2,-0.2 -1,-0.2 0.914 113.8 49.9 -67.5 -36.3 25.5 9.0 11.4 46 46 A I H 3<5S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.935 112.0 47.3 -65.8 -36.9 25.5 7.7 7.8 47 47 A A T 3<5S- 0 0 64 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.499 110.4-130.4 -79.2 -7.7 28.3 5.3 8.6 48 48 A N T < 5 + 0 0 64 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.725 68.0 130.4 65.9 22.4 26.3 4.3 11.8 49 49 A T < + 0 0 82 -5,-1.9 2,-0.3 2,-0.0 -4,-0.2 0.405 69.4 41.0 -86.5 1.3 29.2 4.7 14.1 50 50 A V S S- 0 0 7 -6,-0.6 -44,-0.2 -5,-0.1 3,-0.1 -0.947 79.0-122.9-140.3 163.0 27.1 6.8 16.5 51 51 A D S S+ 0 0 22 -46,-2.2 2,-0.3 -2,-0.3 210,-0.3 0.780 97.5 7.3 -74.5 -31.0 23.5 6.9 17.9 52 52 A F E -b 6 0A 2 -47,-1.2 -45,-1.4 208,-0.1 2,-0.3 -0.992 66.8-146.8-151.1 144.0 22.8 10.4 16.5 53 53 A G E -bC 7 259A 0 206,-2.6 206,-2.7 -2,-0.3 2,-0.4 -0.773 13.7-146.5-107.4 162.2 24.6 12.8 14.3 54 54 A A E +bC 8 258A 0 -47,-1.9 -45,-1.9 -2,-0.3 2,-0.3 -0.992 22.1 163.7-135.2 126.3 24.4 16.6 14.7 55 55 A S E - C 0 257A 4 202,-1.9 202,-3.0 -2,-0.4 4,-0.1 -0.994 31.8-157.6-140.9 141.7 24.6 19.2 11.9 56 56 A D S S+ 0 0 2 -2,-0.3 199,-0.2 200,-0.3 -1,-0.1 0.783 86.4 74.4 -85.4 -21.6 23.7 22.9 11.7 57 57 A A S S- 0 0 10 200,-0.1 2,-0.1 197,-0.1 83,-0.1 -0.753 88.0-131.5 -92.9 123.2 23.3 22.5 7.9 58 58 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.385 9.3-129.2 -75.5 153.4 20.1 20.7 7.1 59 59 A L - 0 0 23 -4,-0.1 2,-0.1 1,-0.1 179,-0.1 -0.726 33.2-106.0 -92.0 152.8 19.9 17.8 4.7 60 60 A S > - 0 0 73 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.376 27.9-108.0 -75.6 161.6 17.2 18.0 2.0 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.882 122.3 49.7 -55.8 -37.1 14.0 15.9 2.1 62 62 A E H > S+ 0 0 138 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.924 109.9 48.4 -69.8 -44.2 15.4 13.9 -0.8 63 63 A K H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.880 113.1 49.6 -63.0 -35.8 18.9 13.3 0.9 64 64 A L H X>S+ 0 0 17 -4,-2.7 5,-2.4 2,-0.2 4,-1.1 0.917 112.2 46.3 -66.7 -48.1 17.1 12.3 4.1 65 65 A A H <5S+ 0 0 64 -4,-2.3 3,-0.4 -5,-0.3 -2,-0.2 0.904 110.8 53.9 -63.1 -39.4 14.8 9.9 2.2 66 66 A Q H <5S+ 0 0 123 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 117.7 35.3 -61.5 -40.1 17.9 8.5 0.4 67 67 A E H <5S- 0 0 66 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.434 108.8-118.4 -93.9 -4.4 19.8 7.8 3.6 68 68 A G T <5 + 0 0 25 -4,-1.1 194,-3.0 -3,-0.4 195,-0.5 0.836 64.7 146.7 69.8 35.2 16.7 6.8 5.7 69 69 A L E < -D 261 0A 2 -5,-2.4 2,-0.4 192,-0.2 192,-0.2 -0.662 40.2-153.0-108.9 154.3 17.3 9.7 8.2 70 70 A F E -D 260 0A 21 190,-2.7 190,-2.3 -2,-0.2 2,-0.4 -0.974 15.3-158.3-121.8 140.6 15.0 11.9 10.1 71 71 A Q E +D 259 0A 12 -2,-0.4 188,-0.2 188,-0.2 166,-0.1 -0.971 13.0 174.1-125.2 134.2 16.1 15.4 11.1 72 72 A F E -D 258 0A 0 186,-2.3 186,-2.7 -2,-0.4 2,-0.2 -1.000 27.1-118.7-143.8 146.4 14.8 17.6 13.9 73 73 A P E +D 257 0A 0 0, 0.0 184,-0.2 0, 0.0 3,-0.1 -0.495 22.6 179.0 -80.0 151.1 15.7 20.9 15.4 74 74 A T E - 0 0 4 182,-2.0 222,-0.5 1,-0.4 2,-0.3 0.815 57.4 -13.2-115.2 -53.3 16.8 21.5 19.0 75 75 A V E - E 0 295A 2 181,-0.4 181,-0.7 220,-0.1 2,-0.4 -0.887 57.5-116.4-145.1 176.2 17.7 25.1 19.8 76 76 A I E +DE 255 294A 2 218,-2.4 218,-2.7 -2,-0.3 179,-0.2 -0.959 37.7 159.2-122.9 126.3 18.4 28.4 18.1 77 77 A G E -D 254 0A 0 177,-2.6 177,-1.9 -2,-0.4 2,-0.3 -0.677 26.6-126.0-130.0-166.9 21.8 30.2 18.4 78 78 A G E -D 253 0A 0 175,-0.2 118,-3.1 -2,-0.2 2,-0.4 -0.995 9.5-127.7-147.7 152.6 23.7 32.8 16.4 79 79 A V E -F 195 0B 0 173,-2.7 2,-0.3 -2,-0.3 173,-0.3 -0.806 32.0-176.3 -95.9 139.3 27.0 33.2 14.8 80 80 A V E -F 194 0B 0 114,-2.8 114,-2.2 -2,-0.4 2,-0.7 -0.848 29.5-110.9-131.6 167.6 29.0 36.3 15.7 81 81 A L E -F 193 0B 0 -2,-0.3 126,-1.4 112,-0.2 2,-0.3 -0.926 27.9-157.5-105.5 112.0 32.2 37.9 14.6 82 82 A A E -FG 192 206B 0 110,-2.7 110,-1.9 -2,-0.7 2,-0.4 -0.696 15.8-169.6 -85.4 136.1 34.9 37.7 17.4 83 83 A V E -FG 191 205B 6 122,-2.2 122,-0.7 -2,-0.3 2,-0.6 -0.970 26.7-154.4-132.1 146.1 37.5 40.4 16.9 84 84 A N + 0 0 42 106,-2.6 105,-3.7 -2,-0.4 106,-0.3 -0.790 37.2 154.9-116.2 81.7 40.9 41.1 18.6 85 85 A I > - 0 0 8 -2,-0.6 3,-2.3 3,-0.2 -2,-0.1 -0.890 42.9-126.6-115.3 105.4 41.1 44.8 18.0 86 86 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 42,-0.1 -0.194 92.7 13.9 -51.1 128.0 43.4 46.7 20.5 87 87 A G T 3 S+ 0 0 86 1,-0.3 2,-0.3 38,-0.1 37,-0.1 0.162 103.3 104.2 93.5 -14.1 41.5 49.5 22.2 88 88 A L < - 0 0 26 -3,-2.3 -1,-0.3 35,-0.0 2,-0.2 -0.760 58.3-145.4-100.5 147.2 38.1 48.5 21.1 89 89 A K > - 0 0 131 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.660 35.5 -73.5-109.2 164.4 35.6 46.9 23.4 90 90 A S T 3 S+ 0 0 38 1,-0.3 117,-0.2 -2,-0.2 -1,-0.1 -0.215 114.7 12.7 -56.2 139.7 32.9 44.2 22.8 91 91 A G T 3 S+ 0 0 14 115,-3.3 -1,-0.3 2,-0.1 116,-0.1 0.414 98.1 102.3 76.5 -1.5 29.9 45.4 20.9 92 92 A E < + 0 0 74 -3,-1.9 2,-0.4 114,-0.3 -2,-0.1 0.813 61.9 74.3 -83.3 -34.9 31.3 48.7 19.8 93 93 A L - 0 0 2 -4,-0.4 115,-3.0 113,-0.4 2,-0.4 -0.701 65.1-160.6 -82.0 135.3 32.2 47.9 16.2 94 94 A V E +i 208 0C 20 -2,-0.4 2,-0.3 113,-0.2 115,-0.2 -0.945 11.2 179.0-112.7 135.7 29.3 47.7 13.8 95 95 A L E -i 209 0C 0 113,-1.2 115,-1.3 -2,-0.4 2,-0.3 -0.905 15.5-146.2-130.7 154.7 29.7 45.9 10.4 96 96 A D > - 0 0 40 -2,-0.3 4,-2.1 113,-0.2 5,-0.2 -0.773 32.8-102.1-113.9 171.3 27.2 45.4 7.7 97 97 A G H > S+ 0 0 6 -2,-0.3 4,-2.6 113,-0.2 5,-0.2 0.910 117.7 52.3 -61.8 -40.2 26.9 42.3 5.4 98 98 A K H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.940 113.5 42.8 -62.1 -44.5 28.5 43.9 2.4 99 99 A T H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.820 110.8 54.4 -71.1 -40.0 31.6 45.0 4.4 100 100 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.938 108.8 51.1 -58.0 -42.8 31.9 41.8 6.2 101 101 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.928 107.9 51.5 -61.6 -45.7 32.0 40.1 2.9 102 102 A D H X>S+ 0 0 15 -4,-2.1 6,-1.6 2,-0.2 5,-1.4 0.778 107.8 52.8 -62.0 -34.5 34.7 42.4 1.5 103 103 A I H ><5S+ 0 0 1 -4,-1.7 3,-1.2 -3,-0.3 -1,-0.2 0.945 112.0 45.2 -63.3 -49.0 36.8 41.7 4.6 104 104 A Y H 3<5S+ 0 0 0 -4,-2.4 66,-0.4 1,-0.3 -2,-0.2 0.811 109.5 55.8 -65.9 -28.2 36.5 38.0 4.0 105 105 A L H 3<5S- 0 0 22 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.620 115.1-116.9 -76.8 -10.3 37.2 38.5 0.3 106 106 A G T <<5S+ 0 0 25 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.419 85.3 118.7 87.6 -0.4 40.5 40.2 1.2 107 107 A K S S-K 129 0D 60 19,-0.3 3,-1.9 1,-0.1 19,-0.2 -0.975 71.3-128.8-129.3 149.1 43.0 47.3 7.5 111 111 A W T 3 S+ 0 0 0 17,-2.8 16,-0.2 -2,-0.4 18,-0.1 0.730 109.5 52.8 -62.8 -24.4 40.8 48.0 10.5 112 112 A D T 3 S+ 0 0 67 16,-0.3 -1,-0.3 14,-0.3 15,-0.1 0.144 78.7 142.1 -97.3 17.5 40.7 51.8 9.8 113 113 A D X> - 0 0 44 -3,-1.9 4,-2.5 1,-0.1 3,-1.2 -0.290 65.5-113.6 -56.6 145.6 39.6 51.3 6.1 114 114 A E H 3> S+ 0 0 172 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.822 114.7 60.2 -53.0 -34.8 37.1 53.9 5.0 115 115 A A H 3> S+ 0 0 19 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.865 111.3 38.9 -64.5 -34.2 34.4 51.3 4.7 116 116 A I H X> S+ 0 0 0 -3,-1.2 4,-1.2 -6,-0.2 3,-0.8 0.919 113.1 55.3 -81.0 -42.9 34.6 50.5 8.3 117 117 A A H >< S+ 0 0 36 -4,-2.5 3,-0.8 1,-0.3 -2,-0.2 0.911 104.9 54.3 -54.3 -45.9 35.2 54.0 9.5 118 118 A K H 3< S+ 0 0 111 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.747 108.1 48.0 -65.5 -26.5 32.0 55.1 7.7 119 119 A L H << S+ 0 0 36 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.704 119.3 43.7 -83.4 -15.1 29.9 52.5 9.6 120 120 A N X< + 0 0 9 -4,-1.2 3,-0.6 -3,-0.8 -1,-0.2 -0.551 66.2 165.7-131.8 67.9 31.6 53.7 12.8 121 121 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.893 79.2 44.1 -49.3 -55.1 31.7 57.5 12.9 122 122 A G T 3 S+ 0 0 71 2,-0.1 -2,-0.1 0, 0.0 -5,-0.0 0.800 95.8 100.7 -67.6 -23.9 32.6 57.9 16.5 123 123 A L < - 0 0 33 -3,-0.6 2,-0.8 -6,-0.2 -3,-0.1 -0.241 60.4-149.4 -70.7 146.6 35.2 55.2 16.6 124 124 A K - 0 0 175 -37,-0.1 -1,-0.1 -2,-0.0 -12,-0.1 -0.883 26.6-165.0-111.9 93.8 39.0 55.6 16.4 125 125 A L - 0 0 24 -2,-0.8 -13,-0.1 -5,-0.1 -38,-0.1 -0.624 17.5-117.6 -84.1 138.0 40.1 52.5 14.6 126 126 A P - 0 0 35 0, 0.0 2,-1.4 0, 0.0 -14,-0.3 -0.331 19.5-118.7 -72.4 157.0 43.7 51.4 14.6 127 127 A S + 0 0 77 -16,-0.2 2,-0.3 -15,-0.1 -2,-0.0 -0.467 68.3 142.0 -91.7 56.3 45.7 51.1 11.5 128 128 A Q - 0 0 58 -2,-1.4 -17,-2.8 -42,-0.1 -16,-0.3 -0.764 55.1-115.4 -99.2 141.1 46.1 47.5 12.3 129 129 A N B -K 110 0D 92 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.3 -0.597 30.6-114.2 -79.9 144.9 46.0 44.9 9.5 130 130 A I - 0 0 25 -21,-2.5 2,-0.6 -2,-0.2 60,-0.2 -0.642 21.0-160.8 -83.5 133.3 43.1 42.4 9.5 131 131 A A E -h 190 0B 22 58,-2.0 60,-1.7 -2,-0.3 2,-0.4 -0.972 15.7-150.0-111.3 104.4 43.9 38.8 10.1 132 132 A V E -h 191 0B 10 -2,-0.6 40,-2.2 58,-0.2 2,-0.4 -0.676 11.8-167.1 -82.4 127.7 41.0 36.8 8.8 133 133 A V E +l 172 0E 0 58,-2.9 60,-0.4 -2,-0.4 2,-0.3 -0.914 13.5 164.5-112.2 139.4 40.4 33.5 10.5 134 134 A R E -l 173 0E 56 38,-2.8 40,-2.6 -2,-0.4 2,-0.2 -0.892 42.2 -69.4-144.7 175.9 38.0 30.8 9.2 135 135 A R E -l 174 0E 4 -2,-0.3 40,-0.2 38,-0.2 4,-0.1 -0.541 24.4-166.9 -78.7 139.4 37.2 27.1 9.7 136 136 A A S S+ 0 0 64 38,-2.7 39,-0.2 -2,-0.2 2,-0.2 0.726 74.2 61.5 -86.4 -28.7 39.7 24.5 8.6 137 137 A D S S- 0 0 21 37,-0.6 2,-0.5 1,-0.1 -99,-0.1 -0.504 103.4 -82.4 -99.7 161.1 37.0 21.7 9.0 138 138 A G - 0 0 14 -102,-0.2 -99,-1.3 -2,-0.2 -98,-0.5 -0.519 64.5-175.1 -61.7 121.3 33.6 21.0 7.4 139 139 A S > - 0 0 0 25,-2.3 4,-1.6 -2,-0.5 24,-0.1 -0.932 47.6-153.9-138.0 140.5 31.3 23.2 9.4 140 140 A G H > S+ 0 0 0 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.789 106.7 58.8 -71.4 -33.3 27.7 24.1 9.8 141 141 A D H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 105.8 48.8 -61.3 -41.6 28.9 27.6 11.1 142 142 A S H > S+ 0 0 0 22,-0.2 4,-3.3 2,-0.2 21,-0.3 0.899 110.6 51.1 -61.3 -41.3 30.7 28.0 7.7 143 143 A F H X S+ 0 0 61 -4,-1.6 4,-2.5 2,-0.2 20,-0.3 0.968 114.1 42.0 -57.9 -56.4 27.5 27.0 6.0 144 144 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.945 117.2 47.9 -56.8 -48.0 25.4 29.5 7.9 145 145 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.916 114.6 44.3 -65.7 -44.6 28.0 32.2 7.6 146 146 A T H X S+ 0 0 0 -4,-3.3 4,-2.4 17,-0.3 -1,-0.2 0.821 109.5 57.4 -70.7 -28.7 28.5 31.7 3.8 147 147 A S H X S+ 0 0 18 -4,-2.5 4,-0.9 -5,-0.3 -1,-0.2 0.909 110.5 45.0 -62.5 -43.9 24.8 31.5 3.3 148 148 A Y H >X S+ 0 0 2 -4,-2.3 4,-1.3 2,-0.2 3,-0.9 0.958 112.8 48.8 -60.5 -55.8 24.5 34.9 4.9 149 149 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 3,-0.5 0.882 106.0 57.2 -56.5 -40.3 27.5 36.4 3.0 150 150 A A H 3< S+ 0 0 13 -4,-2.4 -1,-0.3 1,-0.2 7,-0.2 0.806 107.0 50.5 -63.7 -27.8 26.1 35.2 -0.3 151 151 A K H << S+ 0 0 91 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.768 121.2 31.0 -77.1 -31.5 22.9 37.1 0.3 152 152 A V H < S+ 0 0 37 -4,-1.3 2,-0.5 -3,-0.5 -2,-0.2 0.594 117.1 51.4-105.2 -14.7 24.5 40.4 1.1 153 153 A N X - 0 0 1 -4,-2.7 4,-2.6 -5,-0.2 3,-0.2 -0.926 59.3-165.4-129.0 108.8 27.7 40.4 -1.0 154 154 A E H > S+ 0 0 142 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.881 90.2 54.9 -59.4 -37.1 27.3 39.7 -4.7 155 155 A E H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.872 109.5 47.5 -66.0 -39.2 31.0 39.1 -5.3 156 156 A W H >>S+ 0 0 0 -3,-0.2 5,-2.9 -7,-0.2 4,-2.6 0.967 110.4 53.1 -64.9 -46.5 31.1 36.5 -2.5 157 157 A K H <5S+ 0 0 118 -4,-2.6 -2,-0.2 -8,-0.3 -1,-0.2 0.907 116.6 38.7 -54.1 -44.5 28.0 34.9 -4.0 158 158 A N H <5S+ 0 0 99 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.715 124.5 32.8 -81.3 -28.1 29.6 34.7 -7.4 159 159 A N H <5S+ 0 0 123 -4,-2.1 -3,-0.2 -3,-0.2 -2,-0.2 0.749 134.3 11.8-104.7 -24.9 33.2 33.7 -6.5 160 160 A V T <5S- 0 0 23 -4,-2.6 7,-0.3 -5,-0.4 -3,-0.2 0.720 83.7-174.3-121.7 -33.2 33.1 31.6 -3.5 161 161 A G < - 0 0 19 -5,-2.9 2,-0.3 -6,-0.1 -11,-0.1 -0.349 34.3 -47.0 78.9-164.3 29.5 30.7 -2.9 162 162 A T + 0 0 66 -5,-0.1 2,-0.2 -13,-0.1 -19,-0.1 -0.811 68.4 111.3-115.7 149.7 27.9 28.8 -0.0 163 163 A G S S- 0 0 15 -21,-0.3 -17,-0.3 -2,-0.3 3,-0.1 -0.860 70.9 -96.0 163.8 166.1 29.0 25.6 1.7 164 164 A S S S+ 0 0 32 -2,-0.2 -25,-2.3 1,-0.2 2,-0.3 0.703 121.3 21.3 -70.7 -28.6 30.3 23.7 4.7 165 165 A T S S+ 0 0 101 -27,-0.2 2,-0.3 -23,-0.1 -1,-0.2 -0.970 79.6 165.8-138.0 137.0 33.7 24.0 3.0 166 166 A V - 0 0 23 -2,-0.3 2,-1.2 -3,-0.1 -5,-0.1 -0.902 49.6 -89.2-145.0 170.4 34.5 26.6 0.3 167 167 A K - 0 0 171 -7,-0.3 -2,-0.0 -2,-0.3 3,-0.0 -0.767 48.5-144.6 -87.7 98.2 37.6 27.9 -1.3 168 168 A W - 0 0 21 -2,-1.2 3,-0.1 1,-0.2 -63,-0.1 -0.464 7.0-146.2 -65.8 126.7 38.4 30.7 1.1 169 169 A P S S- 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.845 78.7 -13.7 -61.4 -31.3 39.9 33.7 -0.7 170 170 A I S S+ 0 0 64 -66,-0.4 2,-0.1 2,-0.1 -64,-0.1 -0.987 83.8 86.2-161.1 167.7 42.0 34.4 2.4 171 171 A G - 0 0 29 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.3 -0.251 60.3 -82.5 115.8 156.4 42.5 33.5 6.0 172 172 A L E -l 133 0E 79 -40,-2.2 -38,-2.8 -2,-0.1 2,-0.4 -0.650 46.8-119.9 -91.5 144.6 44.1 31.2 8.6 173 173 A G E -l 134 0E 35 -2,-0.3 2,-0.4 -40,-0.2 -38,-0.2 -0.722 24.3-170.4 -96.6 137.0 42.2 28.0 9.4 174 174 A G E -l 135 0E 5 -40,-2.6 -38,-2.7 -2,-0.4 2,-0.6 -0.924 22.3-128.7-119.1 139.1 41.0 27.1 12.9 175 175 A K S > S- 0 0 147 -2,-0.4 4,-1.3 -40,-0.2 -138,-0.1 -0.848 72.1 -18.3 -92.2 125.2 39.6 23.7 13.8 176 176 A G H > S- 0 0 4 -2,-0.6 4,-1.6 2,-0.2 -40,-0.1 0.040 92.6 -72.1 70.9 170.7 36.2 23.8 15.4 177 177 A N H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.862 137.1 57.6 -65.3 -38.1 34.6 26.9 17.1 178 178 A D H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 104.9 52.2 -53.3 -47.3 37.2 26.3 19.9 179 179 A G H X S+ 0 0 19 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.867 109.3 46.2 -60.6 -46.1 39.9 26.7 17.3 180 180 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.936 112.0 51.8 -65.7 -45.3 38.7 29.9 15.9 181 181 A A H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.877 111.0 48.1 -57.1 -41.8 38.2 31.4 19.5 182 182 A A H X S+ 0 0 44 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.880 111.8 49.9 -67.4 -39.8 41.8 30.4 20.4 183 183 A F H X S+ 0 0 23 -4,-1.9 4,-1.2 1,-0.2 3,-0.3 0.936 110.8 47.9 -62.9 -49.9 43.1 32.0 17.2 184 184 A V H < S+ 0 0 1 -4,-2.6 6,-0.3 1,-0.2 -1,-0.2 0.845 108.0 57.3 -60.7 -35.1 41.3 35.2 17.7 185 185 A Q H < S+ 0 0 103 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.868 114.6 36.3 -63.5 -37.4 42.5 35.4 21.3 186 186 A R H < S+ 0 0 166 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.528 103.5 75.5 -99.1 -6.0 46.1 35.2 20.3 187 187 A L S >< S- 0 0 45 -4,-1.2 3,-2.0 -3,-0.2 2,-0.2 -0.865 71.7-140.3-114.6 109.4 46.2 37.2 17.1 188 188 A P T 3 S+ 0 0 77 0, 0.0 -103,-0.2 0, 0.0 -59,-0.1 -0.458 93.5 25.0 -66.0 126.6 46.0 41.0 17.3 189 189 A G T 3 S+ 0 0 0 -105,-3.7 -58,-2.0 1,-0.3 -104,-0.2 0.431 92.7 148.6 100.4 0.2 43.8 42.2 14.4 190 190 A A E < - h 0 131B 0 -3,-2.0 -106,-2.6 -106,-0.3 2,-0.3 -0.330 26.4-177.4 -71.5 151.7 41.9 38.9 14.1 191 191 A I E +Fh 83 132B 0 -60,-1.7 -58,-2.9 -108,-0.2 2,-0.3 -0.982 13.5 159.7-141.0 129.4 38.3 38.4 13.1 192 192 A G E -F 82 0B 0 -110,-1.9 -110,-2.7 -2,-0.3 2,-0.5 -0.979 38.0-116.8-145.8 156.8 36.7 35.0 13.0 193 193 A Y E +F 81 0B 0 -60,-0.4 2,-0.3 -2,-0.3 -112,-0.2 -0.865 40.6 164.5 -98.8 126.0 33.1 33.7 13.1 194 194 A V E -F 80 0B 0 -114,-2.2 -114,-2.8 -2,-0.5 2,-0.1 -0.978 46.2 -94.4-132.7 160.7 32.0 31.7 16.1 195 195 A E E >> -F 79 0B 0 -2,-0.3 3,-1.6 -116,-0.2 4,-0.8 -0.465 50.7-108.4 -68.9 146.6 28.7 30.6 17.7 196 196 A Y H >> S+ 0 0 15 -118,-3.1 4,-2.1 1,-0.3 3,-1.5 0.829 113.3 61.6 -46.3 -47.9 27.9 33.2 20.3 197 197 A A H 3> S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.819 101.0 55.9 -52.6 -32.3 28.6 31.0 23.4 198 198 A Y H <> S+ 0 0 21 -3,-1.6 4,-0.9 2,-0.2 -1,-0.3 0.822 107.1 47.4 -73.3 -30.0 32.1 30.7 22.4 199 199 A A H <<>S+ 0 0 0 -3,-1.5 5,-2.9 -4,-0.8 3,-0.3 0.964 116.2 44.7 -71.5 -50.1 32.7 34.4 22.3 200 200 A K H ><5S+ 0 0 89 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.943 113.6 47.4 -57.5 -53.0 31.1 34.9 25.7 201 201 A Q H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.781 116.1 45.7 -66.0 -23.8 32.8 32.1 27.5 202 202 A N T 3<5S- 0 0 57 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.329 110.0-121.2 -98.6 4.1 36.2 33.1 26.1 203 203 A N T < 5 + 0 0 152 -3,-1.7 2,-0.2 -4,-0.3 -3,-0.2 0.838 55.1 162.9 61.9 34.3 35.7 36.7 26.9 204 204 A L < - 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